3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide

C23H28N2O3 — CID 60622068

IUPAC3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
SMILESCC(NC(=O)C(C(C)C)N1CCCC1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)22(25-15-7-10-21(25)26)23(27)24-17(3)18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17,22H,7,10,15H2,1-3H3,(H,24,27)
InChIKeyICPNIGMBSMHOPV-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.30
Rot. Bonds7

About 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide (PubChem CID 60622068) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
PubChem CID60622068
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
SMILESCC(NC(=O)C(C(C)C)N1CCCC1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)22(25-15-7-10-21(25)26)23(27)24-17(3)18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17,22H,7,10,15H2,1-3H3,(H,24,27)
InChIKeyICPNIGMBSMHOPV-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenoxyphenyl)ethyl]butanamide
CID 60621260
N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
CID 3489886
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817439
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817440
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
CID 95279840
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60619705
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide?
The IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide (CID 60622068) is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide is CC(NC(=O)C(C(C)C)N1CCCC1=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide?
The InChIKey is ICPNIGMBSMHOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)22(25-15-7-10-21(25)26)23(27)24-17(3)18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17,22H,7,10,15H2,1-3H3,(H,24,27).
What are the key properties of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide?
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 60622068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).